SCHEMBL12419949

SCHEMBL12419949

C=COOCOc1c(C)cc(C2(c3cc(C)c(OCOOC=C)c(OC)c3)CCC(C(C)(C)C3CCC(c4cc(C)c(OCC(=O)OC)c(C=O)c4)(c4cc(C)c(OCC(=O)OC)c(OC)c4)CC3)CC2)cc1C=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17448862 0.94
SCHEMBL12419957 0.91 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL12419995 0.86 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL2194092 0.86 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL12419952 0.84 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP2C19
SCHEMBL12419961 0.83 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C19
SCHEMBL12419964 0.79
SCHEMBL12855089 0.78 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL2192005 0.77 CD69 (0.36) ALDH1A1CYP1A2CYP2C19
SCHEMBL2193064 0.77 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C19MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522868-B2 Tetrakis(ether-substituted formylphenyl) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-12-20 US disclosed
US-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-01-21 US disclosed
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-07-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AHR, PAH, ALK ALDH1A1 1415/4885CYP1A2 68/4885CYP2C19 487/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT ALDH1A1 2089/4885CYP1A2 353/4885CYP2C19 2659/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.